Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1034564 | 0.84 | TSHR (0.68) | ALDH1A1TSHRKDM4EHPGDMEN1 | |
| SCHEMBL9288811 | 0.84 | CYP3A4 (0.56) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL11604488 | 0.84 | ALDH1A1 (0.57) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL10579616 | 0.82 | CYP3A4 (0.56) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL11090058 | 0.81 | KDM4E (0.49) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL15396041 | 0.81 | CYP3A4 (0.73) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL11132769 | 0.81 | CYP3A4 (0.52) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL20799519 | 0.80 | KMT2A (0.65) | CYP3A4ALDH1A1TSHRKDM4EHPGD | |
| SCHEMBL11775934 | 0.79 | CYP3A4 (0.53) | CYP3A4ALDH1A1HSD17B10TSHRKDM4E | |
| SCHEMBL30201832 | 0.78 | SMN1; SMN2 (0.60) | ALDH1A1HSD17B10TSHRKDM4EHPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4459409-A | METHYL-QUINOLINECARBOXYLIC ACID, OXIDATION, NICKEL PEROXIDE | AMERICAN CYANAMID COMPANY (US) | 1984-07-10 | — | — | US | disclosed |